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Do not test ref_pos which depends on a specific RDKit version

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PiperOrigin-RevId: 716300884
This commit is contained in:
Augustin Zidek
2025-01-16 19:04:20 +00:00
parent 155f844c5a
commit 5c0379ccd8
3 changed files with 1 additions and 1 deletions
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0
src/alphafold3/.github/workflows/ci.yaml → .github/workflows/ci.yaml vendored
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1
run_alphafold_data_test.py
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@ -209,6 +209,7 @@ class DataPipelineTest(test_utils.StructureTestCase):
ccd=chemical_components.cached_ccd(), ccd=chemical_components.cached_ccd(),
buckets=None, buckets=None,
) )
del featurised_example[0]['ref_pos'] # Depends on specific RDKit version.
with _output('featurised_example.pkl') as (_, output): with _output('featurised_example.pkl') as (_, output):
output.write(pickle.dumps(featurised_example)) output.write(pickle.dumps(featurised_example))

1
src/alphafold3/test_data/featurised_example.json
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@ -32,7 +32,6 @@
"ref_charge": "27898ee238963105942db19f27a980c1fe4f7aeb396c1e5ea4e82da3876deef4", "ref_charge": "27898ee238963105942db19f27a980c1fe4f7aeb396c1e5ea4e82da3876deef4",
"ref_element": "cc437747adeea094daf8a0e551be02f406c7e7d9b0a9328a84a59d907c5492b5", "ref_element": "cc437747adeea094daf8a0e551be02f406c7e7d9b0a9328a84a59d907c5492b5",
"ref_mask": "1e388e40167a4d31291903d74c98544868d0dc574706cdfd259ddd65f56d2993", "ref_mask": "1e388e40167a4d31291903d74c98544868d0dc574706cdfd259ddd65f56d2993",
"ref_pos": "434668a12a296ae06f903e4df3537ea65cb4d942c3ba8c92b30d13d4c192a291",
"ref_space_uid": "97afd7d9d3ba835731457ef090ba4939d707bb2a270d48fde56369bde8e58e9f", "ref_space_uid": "97afd7d9d3ba835731457ef090ba4939d707bb2a270d48fde56369bde8e58e9f",
"residue_center_index": "dfef3704f73a7ee9a3be86b74e25ecd43e056c76574bc9bb65b6b446eeed87a7", "residue_center_index": "dfef3704f73a7ee9a3be86b74e25ecd43e056c76574bc9bb65b6b446eeed87a7",
"residue_index": "6bf4ea803d0fcd31446e07f6ba9e012f794ced1fe5ad60b7181f66bb92601638", "residue_index": "6bf4ea803d0fcd31446e07f6ba9e012f794ced1fe5ad60b7181f66bb92601638",